9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C62H57N3Si2 — CID 153487452

About 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 153487452) has the molecular formula C62H57N3Si2 and a molecular weight of 900.33 g/mol. Its IUPAC name is 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

• Compound Name: 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• PubChem CID: 153487452
• Molecular Formula: C62H57N3Si2
• Molecular Weight: 900.33 g/mol
• Exact Mass: 899.41
• IUPAC Name: 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• SMILES: Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4cccc(C)c4)cc2n3-c2cccc3ccccc23)c1
• InChI: InChI=1S/C62H57N3Si2/c1-42-18-15-22-47(38-42)63(45-30-34-49(35-31-45)66(3,4)5)57-40-59-61(54-27-13-11-25-52(54)57)62-55-28-14-12-26-53(55)58(41-60(62)65(59)56-29-17-21-44-20-9-10-24-51(44)56)64(48-23-16-19-43(2)39-48)46-32-36-50(37-33-46)67(6,7)8/h9-41H,1-8H3
• InChIKey: CJAASYLRUHILTC-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.33
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The IUPAC name of 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 153487452) is 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

What is the SMILES notation for 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The canonical SMILES for 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4cccc(C)c4)cc2n3-c2cccc3ccccc23)c1.

What is the InChIKey of 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The InChIKey is CJAASYLRUHILTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N3Si2/c1-42-18-15-22-47(38-42)63(45-30-34-49(35-31-45)66(3,4)5)57-40-59-61(54-27-13-11-25-52(54)57)62-55-28-14-12-26-53(55)58(41-60(62)65(59)56-29-17-21-44-20-9-10-24-51(44)56)64(48-23-16-19-43(2)39-48)46-32-36-50(37-33-46)67(6,7)8/h9-41H,1-8H3.

What are the key properties of 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 900.33 g/mol, XLogP of 16.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 153487452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).